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Home > Aldehydes > 1564481-82-8
1564481-82-8 | 2-[METHYL(PROP-2-YN-1-YL)AMINO]PYRIMIDINE-5-CARBALDEHYDE
CAS No: 1564481-82-8 Catalog No: AG01C8Q3 MDL No:MFCD26843521
Product Description
Catalog Number:
AG01C8Q3
Chemical Name:
2-[METHYL(PROP-2-YN-1-YL)AMINO]PYRIMIDINE-5-CARBALDEHYDE
CAS Number:
1564481-82-8
Molecular Formula:
C9H9N3O
Molecular Weight:
175.1873
MDL Number:
MFCD26843521
IUPAC Name:
2-[methyl(prop-2-ynyl)amino]pyrimidine-5-carbaldehyde
InChI:
InChI=1S/C9H9N3O/c1-3-4-12(2)9-10-5-8(7-13)6-11-9/h1,5-7H,4H2,2H3
InChI Key:
ZIYXLFZSGCSZGF-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(nc1)N(CC#C)C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.075g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.191g/mol
Monoisotopic Mass:
175.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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